2-Chloro-4-fluoro-5-nitrobenzaldehyde

Name: 2-Chloro-4-fluoro-5-nitrobenzaldehyde
Brand: ChemScene
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CAS No. 99329-85-8
Cat. No. CS-0039219
Purity≥98%
MDL No.MFCD17168722

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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2-Chloro-4-fluoro-5-nitrobenzaldehyde|CS-0039219

Structure of 99329-85-8

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General Information

CAS No. 99329-85-8
Cat. No. CS-0039219
Purity ≥98%
MDL No. MFCD17168722
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃ClFNO₃
Molecular Weight 203.56
Synonym(s) benzaldehyde, 2-chloro-4-fluoro-5-nitro-
SMILES O=CC1=CC([N+]([O-])=O)=C(F)C=C1Cl

Description

2-Chloro-4-fluoro-5-nitrobenzaldehyde features a trifunctional aromatic core bearing chlorine, fluorine, and nitro groups ortho to the aldehyde, enabling strategic integration into complex molecular architectures. The electron-deficient ring enhances reactivity in nucleophilic substitution and coupling processes, while the aldehyde functionality provides a handle for imine formation or derivatization under mild conditions. This compound serves as a key intermediate in the synthesis of bioactive heterocycles and functional materials.

Application

2-Chloro-4-fluoro-5-nitrobenzaldehyde serves as a versatile electrophilic building block in the synthesis of advanced heterocycles and pharmaceutical intermediates. Its orthogonal halogen (Cl, F) and nitro groups enable selective functionalization via cross-coupling or reduction sequences, while the aldehyde functionality facilitates condensation reactions. Bench-stable and compatible with standard purification methods, it supports scalable access to complex scaffolds in medicinal chemistry and materials science applications.

Synthesis

Route1
- In-stock
  
  84194-36-5
- ~88%
- In-stock
  
  99329-85-8
References
- GLAXO GROUP LIMITED Patent: WO2007/36718 A2, 2007 ; Location in patent: Page/Page column 87 ; WO 2007/036718 A2
Route2
- In-stock
  
  84194-36-5
- 107-06-2
- ~%
- In-stock
  
  99329-85-8
References
- FMC Corporation Patent: US4846882 A1, 1989 ;

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 60.21
LogP 2.1998
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Aldehyde

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Chloro-4-fluoro-5-nitrobenzaldehyde

CAS No. 99329-85-8

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